Estimating Kinetic Parameters from a Batch Reactor Experiment

An irreversible, homogeneous, liquid-phase reaction taking place in a batch reactor. Assume that the experimental data (i.e. the concentration of species versus time data indicated by the blue dots in the figure) comes from the on-line measurement of electrical conductivity of the mixture in the reactor.  This simulation uses the experimentally-obtained data in order to estimate the theoretical reaction order and rate constant (shown in the figure in red and blue, respectively). You can vary the theoretical values of reaction order and rate constant using the sliders. You can also vary the experimental data in order to mimic different experimental results obtained by various set-ups using the “seed” and “noise amplitude” sliders

This simulation runs on desktop using the free Wolfram Player. Download the Wolfram Player here.

Authors: Housam Binous, Ahmed Bellagi, Brian G. Higgins. Open content licensed under CC BY-NC-SA.

View the source code for this simulation